3-(4-bromophenyl)-1,2-dimethyl-5-(trichloromethyl)pyrazol-2-ium chloride

Systemtic Name: 3-(4-bromophenyl)-1,2-dimethyl-5-(trichloromethyl)pyrazol-2-ium chloride Openeye Name: 3-(4-bromophenyl)-1,2-dimethyl-5-(trichloromethyl)pyrazol-2-ium chloride CAS Name: 3-(4-bromophenyl)-1,2-dimethyl-5-(trichloromethyl)pyrazol-2-ium chloride IUPAC Name: 3-(4-bromophenyl)-1,2-dimethyl-5-(trichloromethyl)pyrazol-2-ium chloride Traditional Name: 3-(4-bromophenyl)-1,2-dimethyl-5-(trichloromethyl)pyrazol-2-ium chloride Formula: C12H11BrCl4N2 MolecularWeight: 404.94514

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=[N+]1C)C2=CC=C(C=C2)Br)C(Cl)(Cl)Cl.[Cl-]

Isomeric SMILES

CN1C(=CC(=[N+]1C)C2=CC=C(C=C2)Br)C(Cl)(Cl)Cl.[Cl-]

InChI

InChI=1S/C12H11BrCl3N2.ClH/c1-17-10(8-3-5-9(13)6-4-8)7-11(18(17)2)12(14,15)16;/h3-7H,1-2H3;1H/q+1;/p-1